1-(cyclopropylmethyl)indole-3-sulfonyl chloride

C12H12ClNO2S — CID 82696799

IUPAC1-(cyclopropylmethyl)indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C12H12ClNO2S/c13-17(15,16)12-8-14(7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2
InChIKeyDRXSFMZIJNIVAZ-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.98
Rot. Bonds3

About 1-(cyclopropylmethyl)indole-3-sulfonyl chloride

1-(cyclopropylmethyl)indole-3-sulfonyl chloride (PubChem CID 82696799) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)indole-3-sulfonyl chloride
PubChem CID82696799
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name1-(cyclopropylmethyl)indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C12H12ClNO2S/c13-17(15,16)12-8-14(7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2
InChIKeyDRXSFMZIJNIVAZ-UHFFFAOYSA-N
XLogP2.98
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)indole-3-sulfonyl chloride?
The IUPAC name of 1-(cyclopropylmethyl)indole-3-sulfonyl chloride (CID 82696799) is 1-(cyclopropylmethyl)indole-3-sulfonyl chloride.
What is the SMILES notation for 1-(cyclopropylmethyl)indole-3-sulfonyl chloride?
The canonical SMILES for 1-(cyclopropylmethyl)indole-3-sulfonyl chloride is O=S(=O)(Cl)c1cn(CC2CC2)c2ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)indole-3-sulfonyl chloride?
The InChIKey is DRXSFMZIJNIVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c13-17(15,16)12-8-14(7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,8-9H,5-7H2.
What are the key properties of 1-(cyclopropylmethyl)indole-3-sulfonyl chloride?
1-(cyclopropylmethyl)indole-3-sulfonyl chloride has a molecular weight of 269.75 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)indole-3-sulfonyl chloride is sourced from PubChem (CID 82696799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).